3-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid
3-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 8018-1740 |
| Compound Name: | 3-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid |
| Molecular Weight: | 173.19 |
| Molecular Formula: | C5 H7 N3 O2 S |
| Smiles: | C(CC(O)=O)C1NC(NN=1)=S |
| Stereo: | ACHIRAL |
| logP: | -0.1361 |
| logD: | -2.9587 |
| logSw: | -1.5845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.064 |
| InChI Key: | AYGIKKUNSIUPMN-UHFFFAOYSA-N |